Yes, insufficient disk space seems to be the problem. Another question: Is it possible to perform force-matching using lammps dump files? I don't see a tutorial for this. If it is possible I'll appreciate any guidlines
Thanks Erez בתאריך יום שלישי, 7 בפברואר 2017 בשעה 16:32:43 UTC+2, מאת Christoph Junghans: > > > > On Feb 7, 2017 01:28, <[email protected] <javascript:>> wrote: > > I removed the old VOTCA version and installed successfully the 1.5-dev > version. > Now the spce/ibi_lammps tutorial works; however at the 47th iteration the > following error message appears: > > ERROR: > critical: 'csg_stat --nt 4 --options > /home/ereztamir/votca/bin/settings.xml --top topol.xml --trj traj.dump > --begin 0 --first-frame 0' failed > > What is the meaning of this error? > > Attached is the inverse.log for more details > > The log says above the error message > > terminate called after throwing an instance of 'std::runtime_error' > what(): Error: unexpected end of lammps file 'traj.dump' only 1133 atoms > of 2180 read. > > So I guess the traj.dump of that step is corrupted! Did you ran out of > disk space maybe? > > Christoph > > > Thanks > > בתאריך יום שני, 6 בפברואר 2017 בשעה 17:45:45 UTC+2, מאת Christoph Junghans: > >> >> >> On Feb 6, 2017 7:24 AM, <[email protected]> wrote: >> >> Hi Christoph, >> Thank you for answering quickly. >> .The VOTCA version is 1.2.4, seems like an old version. >> >> Yes, v1.2.4 is 2 years old. Currently is v1.4! >> >> This could be the problem? >> How can I update it to the the current version? >> >> See here: >> >> https://github.com/votca/csg/wiki/Installing#from-source >> >> Christoph >> >> Thanks >> Erez >> >> בתאריך יום שני, 6 בפברואר 2017 בשעה 16:13:58 UTC+2, מאת Christoph >> Junghans: >>> >>> 2017-02-06 6:23 GMT-07:00 Erez Tamir <[email protected]>: >>> > Dear votca usres, >>> > >>> > I'm trying to run votca-csg with LAMMPS, especially ibi_lammps >>> tutorial, and >>> > always end with this error: >>> > >>> > ERROR: >>> > source_wrapper: Could not get any script from tags 'functions' >>> 'lammps' >>> > >>> > I'm using Ubuntu 15.10 and lammps 15Mar2015 version. >>> > First I installed votca using: sudo apt-get install votca-csg, updated >>> the >>> > setting.xml file of the spce/ibi_lammps tutorial with the correct >>> lammps >>> > command and run. This ended up with the above error. Then I searched a >>> > solution in the votca forum and found a recommendation to install the >>> > developmenet version, and so did (also installed all its dependencies) >>> via: >>> > >>> > <https://code.google.com/p/votca/wiki/Installing#Development_Version> >>> We have moved to github, new information here: >>> https://github.com/votca/csg/wiki/Installing#development-version >>> >>> > >>> > Even after successful building of this votca vesion, the runs always >>> end >>> > with the above error. >>> > Would anyone help with this issue please? Should I update any other >>> file in >>> > the tutorial? >>> The Lammps tutorial should work with current version of VOTCA. >>> >>> Which version are you using? >>> Run: >>> $ csg_call --version >>> >>> Christoph >>> > >>> > Thanks, >>> > Erez Tamir >>> > IIT - Israel Institute of Technology >>> > >>> > -- >>> > You received this message because you are subscribed to the Google >>> Groups >>> > "votca" group. >>> > To unsubscribe from this group and stop receiving emails from it, send >>> an >>> > email to [email protected]. >>> > To post to this group, send email to [email protected]. >>> > Visit this group at https://groups.google.com/group/votca. >>> > For more options, visit https://groups.google.com/d/optout. >>> >>> >>> >>> -- >>> Christoph Junghans >>> Web: http://www.compphys.de >>> >> -- >> You received this message because you are subscribed to the Google Groups >> "votca" group. >> To unsubscribe from this group and stop receiving emails from it, send an >> email to [email protected]. >> To post to this group, send email to [email protected]. >> Visit this group at https://groups.google.com/group/votca. >> For more options, visit https://groups.google.com/d/optout. >> >> >> -- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected] <javascript:>. > To post to this group, send email to [email protected] <javascript:>. > Visit this group at https://groups.google.com/group/votca. > For more options, visit https://groups.google.com/d/optout. > > > -- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To post to this group, send email to [email protected]. Visit this group at https://groups.google.com/group/votca. For more options, visit https://groups.google.com/d/optout.
